[(2S)-2-[4-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone

C26H29N5O2 — CID 146471208

IUPAC[(2S)-2-[4-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCc1ccc(-c2nn[nH]n2)cc1-c1ccc([C@H]2CC23CCN(C(=O)[C@H]2CCCO2)CC3)cc1
InChIInChI=1S/C26H29N5O2/c1-17-4-5-20(24-27-29-30-28-24)15-21(17)18-6-8-19(9-7-18)22-16-26(22)10-12-31(13-11-26)25(32)23-3-2-14-33-23/h4-9,15,22-23H,2-3,10-14,16H2,1H3,(H,27,28,29,30)/t22-,23-/m1/s1
InChIKeyUHLBGJRQWLIPPI-DHIUTWEWSA-N
MW443.55 g/mol
LogP4.12
Rot. Bonds4

About [(2S)-2-[4-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone

[(2S)-2-[4-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 146471208) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is [(2S)-2-[4-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-[4-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID146471208
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name[(2S)-2-[4-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCc1ccc(-c2nn[nH]n2)cc1-c1ccc([C@H]2CC23CCN(C(=O)[C@H]2CCCO2)CC3)cc1
InChIInChI=1S/C26H29N5O2/c1-17-4-5-20(24-27-29-30-28-24)15-21(17)18-6-8-19(9-7-18)22-16-26(22)10-12-31(13-11-26)25(32)23-3-2-14-33-23/h4-9,15,22-23H,2-3,10-14,16H2,1H3,(H,27,28,29,30)/t22-,23-/m1/s1
InChIKeyUHLBGJRQWLIPPI-DHIUTWEWSA-N
XLogP4.12
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-[4-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
CID 146504722
4-chloro-3-methyl-5-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146470961
3-methyl-5-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471115
3-methyl-5-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471291
3-chloro-4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471120
3-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-4-(trifluoromethyl)benzoic acid
CID 146471160
[(2R)-2-[4-[2-fluoro-5-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
CID 146504908
4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid
CID 146471193
4-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-(trifluoromethyl)benzoic acid
CID 146471201
3-chloro-4-methoxy-5-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471150
3-fluoro-5-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471104
3-fluoro-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471204

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[4-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [(2S)-2-[4-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone (CID 146471208) is [(2S)-2-[4-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [(2S)-2-[4-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [(2S)-2-[4-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone is Cc1ccc(-c2nn[nH]n2)cc1-c1ccc([C@H]2CC23CCN(C(=O)[C@H]2CCCO2)CC3)cc1.
What is the InChIKey of [(2S)-2-[4-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is UHLBGJRQWLIPPI-DHIUTWEWSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-17-4-5-20(24-27-29-30-28-24)15-21(17)18-6-8-19(9-7-18)22-16-26(22)10-12-31(13-11-26)25(32)23-3-2-14-33-23/h4-9,15,22-23H,2-3,10-14,16H2,1H3,(H,27,28,29,30)/t22-,23-/m1/s1.
What are the key properties of [(2S)-2-[4-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone?
[(2S)-2-[4-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 443.55 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[4-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 146471208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).